Geometry & MOs

Info

ID:	48290
PubChem CID:	10538655
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	250.135765
ΔH_f, kcal/mol:	-124.84
Dipole, Da:	4.96
IP(EA), eV:	-9.92(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=C)[C@H]1C[C@H](C(=O)C[C@]1(C)C=C)CC(=O)OC

DOS

IR

Vibrations